N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

C17H17N3O2S — CID 95304804

IUPACN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cccnc2Sc2ccccc2)CC1=O
InChIInChI=1S/C17H17N3O2S/c1-20-11-12(10-15(20)21)19-16(22)14-8-5-9-18-17(14)23-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyOSLIDSYPYMNKGY-LBPRGKRZSA-N
MW327.41 g/mol
LogP2.19
Rot. Bonds4

About N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide

N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (PubChem CID 95304804) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
PubChem CID95304804
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC NameN-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
SMILESCN1C[C@@H](NC(=O)c2cccnc2Sc2ccccc2)CC1=O
InChIInChI=1S/C17H17N3O2S/c1-20-11-12(10-15(20)21)19-16(22)14-8-5-9-18-17(14)23-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m0/s1
InChIKeyOSLIDSYPYMNKGY-LBPRGKRZSA-N
XLogP2.19
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylpyrrolidin-3-yl)-2-phenylsulfanylpyridine-3-carboxamide
CID 47074740
2-(2-methoxyethoxy)-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95290165
N-[(3S)-1-benzylpyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118983
2-(4-bromophenyl)sulfanyl-N-cyclopropylpyridine-3-carboxamide
CID 47100478
N-(1-methyl-5-oxopyrrolidin-3-yl)benzamide
CID 110736486
N-[(3R)-1-cycloheptyl-5-oxopyrrolidin-3-yl]-2-methylsulfanylpyridine-3-carboxamide
CID 42463239
N-[(3S)-1-benzylpyrrolidin-1-ium-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 9118982
2-(4-bromophenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 55514779
N-(3-hydroxybutyl)-2-phenylsulfanylpyridine-3-carboxamide
CID 111428918
2-[(1-methyl-6-oxopiperidin-3-yl)carbamoyl]pyridine-3-carboxylic acid
CID 64655940
2-(3,4-dimethylphenyl)sulfanyl-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 134037313
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide (CID 95304804) is N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is CN1C[C@@H](NC(=O)c2cccnc2Sc2ccccc2)CC1=O.
What is the InChIKey of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
The InChIKey is OSLIDSYPYMNKGY-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O2S/c1-20-11-12(10-15(20)21)19-16(22)14-8-5-9-18-17(14)23-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H,19,22)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide?
N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide has a molecular weight of 327.41 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]-2-phenylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 95304804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).